Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 19/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.46 |
| ▸ | NEK2 | P51955 | 7/20 | 0.44 |
| ▸ | PLK3 | Q9H4B4 | 6/20 | 0.41 |
| ▸ | PIM1 | P11309 | 3/20 | 0.41 |
| ▸ | KDR | P35968 | 3/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.41 |
| ▸ | NUAK1 | O60285 | 2/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.41 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | INSR | P06213 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3604366 | 0.86 | PLK1 (0.59) | PLK1CYP3A4CYP2C9NEK2PLK3 | |
| SCHEMBL13440250 | 0.80 | PLK1 (0.67) | PLK1CYP3A4CYP2C9NEK2PLK3 | |
| SCHEMBL3259410 | 0.80 | PLK1 (0.67) | PLK1CYP3A4CYP2C9NEK2PLK3 | |
| SCHEMBL4553114 | 0.80 | PLK1 (0.60) | PLK1CYP3A4CYP2C9NEK2PLK3 | |
| SCHEMBL3255762 | 0.80 | PLK1 (0.60) | PLK1CYP3A4CYP2C9NEK2PLK3 | |
| SCHEMBL3615205 | 0.77 | PLK1 (0.58) | PLK1CYP3A4CYP2C9NEK2PLK3 | |
| SCHEMBL3612499 | 0.74 | PLK1 (0.56) | PLK1CYP3A4CYP2C9NEK2PLK3 | |
| SCHEMBL13440213 | 0.73 | PLK1 (0.68) | PLK1CYP3A4CYP2C9NEK2PLK3 | |
| SCHEMBL3250936 | 0.73 | PLK1 (0.68) | PLK1CYP3A4CYP2C9NEK2PLK3 | |
| SCHEMBL3609564 | 0.73 | PLK1 (0.57) | PLK1CYP3A4CYP2C9NEK2PLK3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7615643-B2 | 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer | SMITHKLINE BEECHAM CORPORATION (US) | 2009-11-10 | — | — | US | disclosed |